2,5-Dioxo-1-Pyrrolidinyl N-(3-Azido-5-Nitrobenzoyl)-L-Tyrosyl-β-Alaninate

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Properties Simple | Detailed

Formula C23H21N7O9
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 3-[[(2s)-2-[(3-azido-5-nitro-benzoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
Molecular Mass 539.454 g·mol−1
Heat of Formation -612.2 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 606.0 Å 3
Surface Area 496.28 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
Synonyms
  • (2,5-dioxopyrrolidin-1-yl) 3-[[(2s)-2-[(3-azido-5-nitro-benzoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
  • (2,5-dioxopyrrolidin-1-yl) 3-[[(2s)-2-[(3-azido-5-nitro-phenyl)carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
  • (2,5-dioxopyrrolidin-1-yl) 3-[[(2s)-2-[(3-azido-5-nitrobenzoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
  • 3-[[(2s)-2-[(3-azido-5-nitro-benzoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]propionic acid succinimido ester
  • 3-[[(2s)-2-[[(3-azido-5-nitrophenyl)-oxomethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]propanoic acid (2,5-dioxo-1-pyrrolidinyl) ester
  • anbtba
  • succinimidyl n-(n'-(3-azido-5-nitrobenzoyl)-tyr)7beta-ala
  • succinimidyl n-(n'-(3-azido-5-nitrobenzoyl)tyrosyl)-beta-alanate
CAS Number(s)
  • 126083-10-1
InChIKey OOWJAEYANIBAQP-SFHVURJKSA-N
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